4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside
N-[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also Known As: 4-METHYL-UMBELLIFERYL-N-ACETYL-CHITOBIOSE|4-Methylumbelliferyl Di-N-Acetyl-b-D-chitobiose|4-Methylumbelliferyl b-D-N,N'-diacetyl-chitobioside|4-Methylumbelliferyl N,N-diacetyl-b-D-chitobioside|4-Methylumbelliferyl beta-D-N,N'-diacetylchitobioside|4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside|4-methylumbelliferyl-beta-d-N,N'-diacetylchitobioside|4-Methylumbelliferyl-N,N-diacetyl-beta-D-chitobioside|4-METHYLUMBELLIFERYLBETA-D-N,N-DIACETYL-CHITOBIOSIDE|4-Methylumbelliferyl |A-D-N,N inverted exclamation marka-diacetylchitobioside hydrate|4-Methylumbelliferyl beta-D-N,N'-diacetylchitobioside hydrate, >=98% (TLC)|4-Methylumbelliferyl-N,N inverted exclamation marka-diacetyl-|A-D-chitobioside hydrate|GUM|N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide|N-[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
| Molecular Formula | C26H34N2O13 |
|---|---|
| Molecular Weight | 582.2061 g/mol |
| LogP | -2.60808 |
| Topological Polar Surface Area | 226.48 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 582.2061 |
| Monoisotopic Mass | 582.2061 |
| Heavy Atoms | 41 |
| Complexity | 1301.8679 |
Chemical Identifiers
| CAS Number | 53643-12-2 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)NC(=O)C)O)NC(=O)C |
Product Overview
4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside (CAS 53643-12-2), with molecular formula C26H34N2O13 and molecular weight 582.2061 g/mol. IUPAC: N-[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.